2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

C21H26N4O3S — CID 6378342

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)C2CCCCC2)cc1
InChIInChI=1S/C21H26N4O3S/c1-17-7-9-20(10-8-17)29(27,28)25(19-5-3-2-4-6-19)16-21(26)24-23-15-18-11-13-22-14-12-18/h7-15,19H,2-6,16H2,1H3,(H,24,26)/b23-15-
InChIKeyJSMDGDRPJAXGBJ-HAHDFKILSA-N
MW414.53 g/mol
LogP2.86
Rot. Bonds7

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 6378342) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID6378342
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)C2CCCCC2)cc1
InChIInChI=1S/C21H26N4O3S/c1-17-7-9-20(10-8-17)29(27,28)25(19-5-3-2-4-6-19)16-21(26)24-23-15-18-11-13-22-14-12-18/h7-15,19H,2-6,16H2,1H3,(H,24,26)/b23-15-
InChIKeyJSMDGDRPJAXGBJ-HAHDFKILSA-N
XLogP2.86
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135580382
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6178901
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 92661473
N-[(4-tert-butylphenyl)methylideneamino]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4575278
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4264576
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380372
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
methyl 4-[[[2-[cyclohexyl(methylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 3956165
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (CID 6378342) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is JSMDGDRPJAXGBJ-HAHDFKILSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-17-7-9-20(10-8-17)29(27,28)25(19-5-3-2-4-6-19)16-21(26)24-23-15-18-11-13-22-14-12-18/h7-15,19H,2-6,16H2,1H3,(H,24,26)/b23-15-.
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 6378342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).